Chemical ID: 6200812

c1cc(c(cc1[N+](=O)[O-])c2ccc(o2)C=C3C(=O)NC(=O)N3)Cl
Chemical ID:
6200812
Name [?]:
5-[[5-(2-chloro-5-nitro-phenyl)-2-furyl]methylene]imidazolidine-2,4-dione
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])c2ccc(o2)C=C3C(=O)NC(=O)N3)Cl
InChi [?]:
InChI=1/C14H8ClN3O5/c15-10-3-1-7(18(21)22)5-9(10)12-4-2-8(23-12)6-11-13(19)17-14(20)16-11/h1-6H,(H2,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,15,6,13,4,3,16,10,17,20,23,22,19,7,18,21,8,9,14/E:(21,22)/CRV:18.5/rA:23nCCCCCCN+OO-CCCCOCCCONCONCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s11;d12;s10s13;s13;w15;s16;d17;s17;s19;d20;s16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClN3O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.5203
Area:501.748
Solvation:-9.02339
Coulombic:-59.7482
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:333.683
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.12
LogP (Chemaxon):1.7

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